3-Chloro-2,2,3,3-tetrafluoropropionic Acid - ≥98% , CAS No.661-82-5

CAS: 661-82-5 Cat. No.: C153393 Peso molecular: 180.48 Beilstein Registry Number: 2(4)753 Número EC: 678-366-1

GRADE & PURITY ≥98%

Synonyms

DTXSID00382111 | MS-20028 | 3-Chlorotetrafluoropropionic acid | D89505 | 3-chloro-2,2,3,3-tetrafluoropropanoic acid | 3-chlorotetrafluoropropionic acid, AldrichCPR | 3-Chloro-2,2,3,3-tetrafluoropropionic Acid | C2356 | XJRMCFMZGRJXEZ-UHFFFAOYSA-N | SCHEMB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID00382111 | MS-20028 | 3-Chlorotetrafluoropropionic acid | D89505 | 3-chloro-2, 2, 3, 3-tetrafluoropropanoic acid | 3-chlorotetrafluoropropionic acid, AldrichCPR | 3-Chloro-2, 2, 3, 3-tetrafluoropropionic Acid | C2356 | XJRMCFMZGRJXEZ-UHFFFAOYSA-N | SCHEMB

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193867
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193867
• Sonrisas canónicas: C(=O)(C(C(F)(F)Cl)(F)F)O
• IUPAC Name: 3-chloro-2,2,3,3-tetrafluoropropanoic acid
• InChIKey: XJRMCFMZGRJXEZ-UHFFFAOYSA-N
• INCHI: 1S/C3HClF4O2/c4-3(7,8)2(5,6)1(9)10/h(H,9,10)
• Isómeros SMILES: C(=O)(C(C(F)(F)Cl)(F)F)O
• Peso molecular: 180.48
• Beilstein: 2(4)753
• Reaxy-Rn: 1707409
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707409&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Índice de refracción: 1.34
• Punto de ebullición (°C): 131°C(lit.)
• Peso molecular: 180.480 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 179.96 Da
• Monoisotopic Mass: 179.96 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1